CID 3054037

Brn 0564963

Structural Information

Molecular Formula
C15H19NO5S
SMILES
CC(=O)OC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
InChI
InChI=1S/C15H19NO5S/c1-10(17)21-13-9-11(8-12(18-2)14(13)19-3)15(22)16-4-6-20-7-5-16/h8-9H,4-7H2,1-3H3
InChIKey
GOWLZUBHTOQIJE-UHFFFAOYSA-N
Compound name
[2,3-dimethoxy-5-(morpholine-4-carbothioyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10568 173.1
[M+Na]+ 348.08762 183.6
[M+NH4]+ 343.13222 179.0
[M+K]+ 364.06156 177.6
[M-H]- 324.09112 175.9
[M+Na-2H]- 346.07307 176.5
[M]+ 325.09785 175.6
[M]- 325.09895 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.